Header list of 1gh9.pdb file
Complete list - b 23 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-NOV-00 1GH9
TITLE SOLUTION STRUCTURE OF A 8.3 KDA PROTEIN (GENE MTH1184) FROM
TITLE 2 METHANOBACTERIUM THERMOAUTOTROPHICUM
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: 8.3 KDA PROTEIN (GENE MTH1184);
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: METHANOTHERMOBACTER THERMAUTOTROPHICUS;
SOURCE 3 ORGANISM_TAXID: 145262;
SOURCE 4 GENE: MTH1184;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET15B
KEYWDS BETA+ALPHA COMPLEX STRUCTURE, STRUCTURAL GENOMICS, PSI, PROTEIN
KEYWDS 2 STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM,
KEYWDS 3 NESG, UNKNOWN FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR G.KOZLOV,I.EKIEL,K.GEHRING,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM
AUTHOR 2 (NESG)
REVDAT 5 23-FEB-22 1GH9 1 REMARK
REVDAT 4 24-FEB-09 1GH9 1 VERSN
REVDAT 3 25-JAN-05 1GH9 1 JRNL AUTHOR KEYWDS REMARK
REVDAT 2 29-AUG-01 1GH9 1 KEYWDS REMARK
REVDAT 1 11-DEC-00 1GH9 0
SPRSDE 11-DEC-00 1GH9 1DW7
JRNL AUTH D.CHRISTENDAT,A.YEE,A.DHARAMSI,Y.KLUGER,A.SAVCHENKO,
JRNL AUTH 2 J.R.CORT,V.BOOTH,C.D.MACKERETH,V.SARIDAKIS,I.EKIEL,G.KOZLOV,
JRNL AUTH 3 K.L.MAXWELL,N.WU,L.P.MCINTOSH,K.GEHRING,M.A.KENNEDY,
JRNL AUTH 4 A.R.DAVIDSON,E.F.PAI,M.GERSTEIN,A.M.EDWARDS,C.H.ARROWSMITH
JRNL TITL STRUCTURAL PROTEOMICS OF AN ARCHAEON.
JRNL REF NAT.STRUCT.BIOL. V. 7 903 2000
JRNL REFN ISSN 1072-8368
JRNL PMID 11017201
JRNL DOI 10.1038/82823
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 2.1, ARIA 0.1
REMARK 3 AUTHORS : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON A TOTAL OF
REMARK 3 950 RESTRAINTS INCLUDING 317 INTRARESIDUAL, 217 SEQUENTIAL, 92
REMARK 3 MEDIUM, AND 236 LONG-RANGE NOES, 62 DIHEDRAL PHI ANGLES, AND 26
REMARK 3 HYDROGEN BONDS.
REMARK 4
REMARK 4 1GH9 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 04-DEC-00.
REMARK 100 THE DEPOSITION ID IS D_1000001513.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 305.00
REMARK 210 PH : 6.30
REMARK 210 IONIC STRENGTH : 0.15
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1-2MM PROTEIN 15N,13C 50MM
REMARK 210 PHOSPHATE BUFFER; 0.15M NACL;
REMARK 210 1MM DTT
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N
REMARK 210 -SEPARATED_NOESY; HNHA; 2D NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : GIFA V.4 V.4, XEASY 1.3.13, CNS
REMARK 210 0.5, ARIA 0.1
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST
REMARK 210 ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING BOTH TRIPLE- RESONANCE
REMARK 210 AND HOMONUCLEAR TECHNIQUES.
REMARK 215
REMARK 215 NMR STUDY
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION
REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON
REMARK 215 THESE RECORDS ARE MEANINGLESS.
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
REMARK 500 HB3 LYS A 69 H ARG A 70 1.35
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: TORSION ANGLES
REMARK 500
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
REMARK 500
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
REMARK 500
REMARK 500 M RES CSSEQI PSI PHI
REMARK 500 1 ARG A 11 -169.92 -79.94
REMARK 500 1 GLU A 17 107.23 -56.07
REMARK 500 1 ARG A 28 -168.95 -170.70
REMARK 500 1 VAL A 32 -170.47 -65.20
REMARK 500 1 LYS A 33 -178.36 -57.27
REMARK 500 1 ARG A 35 -109.45 -84.52
REMARK 500 1 ARG A 36 -88.55 -76.80
REMARK 500 1 GLN A 55 -171.83 -67.25
REMARK 500 1 PHE A 64 -78.94 -72.30
REMARK 500 1 LYS A 69 -113.76 -88.64
REMARK 500 2 ARG A 11 -168.14 -79.62
REMARK 500 2 ARG A 28 -166.29 -170.65
REMARK 500 2 VAL A 32 -170.17 -65.47
REMARK 500 2 LYS A 33 -178.80 -57.23
REMARK 500 2 ARG A 35 -107.37 -85.00
REMARK 500 2 ARG A 36 -95.43 -76.74
REMARK 500 2 GLN A 55 -170.86 -67.98
REMARK 500 2 TYR A 59 48.85 -89.84
REMARK 500 3 GLU A 17 109.47 -54.99
REMARK 500 3 ARG A 28 -171.83 -173.47
REMARK 500 3 VAL A 32 -173.90 -66.01
REMARK 500 3 LYS A 33 -179.81 -57.07
REMARK 500 3 ARG A 35 -110.21 -84.96
REMARK 500 3 ARG A 36 -99.30 -76.73
REMARK 500 3 GLN A 55 -174.57 -67.72
REMARK 500 3 LYS A 58 -160.65 -78.96
REMARK 500 3 CYS A 62 -151.44 56.98
REMARK 500 3 HIS A 63 -155.15 -69.13
REMARK 500 3 PHE A 64 40.33 -82.32
REMARK 500 4 ARG A 22 -157.41 -88.18
REMARK 500 4 ARG A 28 -163.09 -172.97
REMARK 500 4 VAL A 32 -167.95 -65.33
REMARK 500 4 LYS A 33 -179.87 -57.25
REMARK 500 4 ARG A 35 -104.13 -84.83
REMARK 500 4 ARG A 36 -90.69 -77.46
REMARK 500 4 GLN A 55 -165.20 -66.89
REMARK 500 4 HIS A 63 -60.18 -97.52
REMARK 500 5 ARG A 11 -165.82 -79.93
REMARK 500 5 GLU A 17 109.61 -55.39
REMARK 500 5 ARG A 28 -169.26 -170.95
REMARK 500 5 VAL A 32 -167.42 -65.99
REMARK 500 5 LYS A 33 -177.12 -57.61
REMARK 500 5 ARG A 35 -104.99 -86.45
REMARK 500 5 ARG A 36 -93.26 -76.56
REMARK 500 5 GLN A 55 -170.36 -66.53
REMARK 500 5 THR A 65 -60.41 -96.63
REMARK 500 5 PRO A 67 22.52 -77.86
REMARK 500 6 GLU A 17 107.70 -55.51
REMARK 500 6 ARG A 28 -167.27 -171.46
REMARK 500 6 VAL A 32 -171.11 -66.16
REMARK 500
REMARK 500 THIS ENTRY HAS 181 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: TT13 RELATED DB: TARGETDB
DBREF 1GH9 A 1 71 UNP O27252 PA84_METTH 1 71
SEQRES 1 A 71 MET TYR ILE ILE PHE ARG CYS ASP CYS GLY ARG ALA LEU
SEQRES 2 A 71 TYR SER ARG GLU GLY ALA LYS THR ARG LYS CYS VAL CYS
SEQRES 3 A 71 GLY ARG THR VAL ASN VAL LYS ASP ARG ARG ILE PHE GLY
SEQRES 4 A 71 ARG ALA ASP ASP PHE GLU GLU ALA SER GLU LEU VAL ARG
SEQRES 5 A 71 LYS LEU GLN GLU GLU LYS TYR GLY SER CYS HIS PHE THR
SEQRES 6 A 71 ASN PRO SER LYS ARG GLU
HELIX 1 1 ASP A 43 GLN A 55 1 13
SHEET 1 A 4 LEU A 13 ARG A 16 0
SHEET 2 A 4 TYR A 2 CYS A 7 -1 N ILE A 3 O SER A 15
SHEET 3 A 4 ARG A 28 ASN A 31 -1 N ASN A 31 O ARG A 6
SHEET 4 A 4 THR A 21 CYS A 24 -1 N ARG A 22 O VAL A 30
CISPEP 1 ASN A 66 PRO A 67 5 2.42
CISPEP 2 ASN A 66 PRO A 67 9 2.30
CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 1.000000 0.000000 0.000000 0.00000
SCALE2 0.000000 1.000000 0.000000 0.00000
SCALE3 0.000000 0.000000 1.000000 0.00000
MODEL 1
Complete list - b 23 2 Bytes